 Home > Encyclopedia > (2,3,4,5,6-pentahydroxycyclohexyl) 6-bromo-4'-hydroxy-4'-methyl-2,12',14'-trioxospiro[1H-indole-3,5'-2,9,11,13-tetrazatricyclo[8.4.0.03,7]tetradeca-1(10),2-diene]-6'-carboxylate

(2,3,4,5,6-pentahydroxycyclohexyl) 6-bromo-4'-hydroxy-4'-methyl-2,12',14'-trioxospiro[1H-indole-3,5'-2,9,11,13-tetrazatricyclo[8.4.0.03,7]tetradeca-1(10),2-diene]-6'-carboxylate

(2,3,4,5,6-pentahydroxycyclohexyl) 6-bromo-4'-hydroxy-4'-methyl-2,12',14'-trioxospiro[1H-indole-3,5'-2,9,11,13-tetrazatricyclo[8.4.0.03,7]tetradeca-1(10),2-diene]-6'-carboxylate structure

CAS No:
99102-40-6
Formula:
C25H26BrN5O11
Chemical Name:
(2,3,4,5,6-pentahydroxycyclohexyl) 6-bromo-4'-hydroxy-4'-methyl-2,12',14'-trioxospiro[1H-indole-3,5'-2,9,11,13-tetrazatricyclo[8.4.0.03,7]tetradeca-1(10),2-diene]-6'-carboxylate
Synonyms:
(des-xylopyranosyl)neosurugatoxin;prosurugatoxin;2,3,4,5,6-pentahydroxycyclohexyl 6'-bromo-6-hydroxy-6-methyl-2,2',4-trioxo-1,1',2',3,4,6,8,8a,9,10-decahydro-2h-spiro[cyclopenta[e]pyrimido[4,5-b][1,4]diazepine-7,3'-indole]-8-carboxylate;DTXSID30912869;99102-40-6;2,3,4,5,6-Pentahydroxycyclohexyl 6'-bromo-2,2',4,6-tetrahydroxy-6-methyl-8,8a,9,10-tetrahydro-6H-spiro[cyclopenta[e]pyrimido[4,5-b][1,4]diazepine-7,3'-indole]-8-carboxylate

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(2,3,4,5,6-pentahydroxycyclohexyl) 6-bromo-4'-hydroxy-4'-methyl-2,12',14'-trioxospiro[1H-indole-3,5'-2,9,11,13-tetrazatricyclo[8.4.0.03,7]tetradeca-1(10),2-diene]-6'-carboxylate Basic Attributes

Molecular Weight：

652.4 g/mol

Exact Mass：

651.08122 g/mol

Characteristics

PSA：

259 Å²

Drug Information

MeSH Entry Terms：

(des-xylopyranosyl)neosurugatoxin

Computed Properties

Molecular Weight:652.4
XLogP3:-4
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:3
Exact Mass:651.08122
Monoisotopic Mass:651.08122
Topological Polar Surface Area:259
Heavy Atom Count:42
Complexity:1300
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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(2,3,4,5,6-pentahydroxycyclohexyl) 2-(1H-indol-3-yl)acetate

23784-11-4

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Guide of (2,3,4,5,6-pentahydroxycyclohexyl) 6-bromo-4'-hydroxy-4'-methyl-2,12',14'-trioxospiro[1H-indole-3,5'-2,9,11,13-tetrazatricyclo[8.4.0.03,7]tetradeca-1(10),2-diene]-6'-carboxylate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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